Detailed information for compound 2075161

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 682.623 | Formula: C31H38O17
  • H donors: 8 H acceptors: 9 LogP: -0.99 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)OC)OC
  • InChi: 1S/C31H38O17/c1-12-21(34)24(37)26(39)30(45-12)44-11-19-22(35)25(38)27(40)31(47-19)48-29-23(36)20-15(33)9-14(43-7-6-32)10-18(20)46-28(29)13-4-5-16(41-2)17(8-13)42-3/h4-5,8-10,12,19,21-22,24-27,30-35,37-40H,6-7,11H2,1-3H3/t12-,19+,21-,22+,24+,25-,26+,27+,30+,31-/m0/s1
  • InChiKey: LSKYIKYUCVNIEI-MVXJRKCZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0118 0.5146 0.5138
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0118 0.5146 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0134 0.6064 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0118 0.5146 0.8485
Entamoeba histolytica ATP-binding cassette protein, putative 0.0034 0.0448 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0034 0.0448 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 0.6064 0.6058
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0204 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0134 0.6064 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0034 0.0448 0.5
Toxoplasma gondii hypothetical protein 0.0204 1 1
Leishmania major pentamidine resistance protein 1 0.0034 0.0448 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0034 0.0448 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0034 0.0448 0.5
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0034 0.0448 0.0433
Echinococcus multilocularis multidrug resistance associated protein 7 0.0034 0.0448 0.0739
Entamoeba histolytica ATP-binding cassette protein, putative 0.0034 0.0448 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0034 0.0448 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0034 0.0448 0.5
Echinococcus multilocularis multidrug resistance associated protein 1 0.0034 0.0448 0.0739
Trypanosoma brucei p-glycoprotein 0.0034 0.0448 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0034 0.0448 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0134 0.6064 0.588
Loa Loa (eye worm) hypothetical protein 0.0034 0.0433 0.0418
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0134 0.6064 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0034 0.0448 0.0739
Echinococcus granulosus multidrug resistance associated protein 7 0.0034 0.0448 0.0739
Giardia lamblia MRP-like ABC transporter 0.0034 0.0448 0.0028
Trypanosoma brucei multidrug resistance protein E 0.0034 0.0448 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0134 0.6064 1
Entamoeba histolytica ABC transporter, putative 0.0034 0.0448 0.5
Entamoeba histolytica hypothetical protein 0.0034 0.0448 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0034 0.0448 0.0028
Giardia lamblia Multidrug resistance-associated protein 1 0.0034 0.0448 0.0028
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0034 0.0448 1
Leishmania major p-glycoprotein e 0.0034 0.0448 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0034 0.0448 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0034 0.0448 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0134 0.6064 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0034 0.0448 1
Leishmania major ABC-thiol transporter 0.0034 0.0448 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0034 0.0448 0.5
Giardia lamblia ABC transporter, putative 0.0034 0.0448 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0448 0.0433
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0134 0.6064 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0118 0.5146 0.8485
Loa Loa (eye worm) hypothetical protein 0.0034 0.0448 0.0433

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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